UCSF

ZINC36771628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.88 7.21 -45.3 1 5 0 70 243.266 4
Mid Mid (pH 6-8) 0.88 7.21 -54.6 0 5 -1 69 242.258 4
Lo Low (pH 4.5-6) 0.88 7.67 -84.56 2 5 1 72 244.274 4

Activity (Go SEA)

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