UCSF

ZINC34274400

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2009 14 Yes

Popular Name: (1R,2R)-N1,N2,N2-trimethylindane-1,2-diamine (1R,2R)-N1,N2,N2-trimethylindane…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 5.07 -35.66 2 2 1 16 191.298 2 ↓
Mid Mid (pH 6-8) 1.69 6.31 -108.65 3 2 2 21 192.306 2 ↓
Mid Mid (pH 6-8) 1.69 3.51 -36.99 2 2 1 20 191.298 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )