UCSF

ZINC34596474

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 12 Yes

Popular Name: (2R)-4-phenylbutane-1,2-diamine (2R)-4-phenylbutane-1,2-diamine

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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) 0.30 2.43 -133.17 6 2 2 55 166.268 4 ↓
Mid Mid (pH 6-8) 0.30 1.99 -40.48 5 2 1 54 165.26 4 ↓
Mid Mid (pH 6-8) 0.30 2.05 -39.75 5 2 1 54 165.26 4 ↓

Activity (Go SEA)

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