UCSF

ZINC36961722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 4.14 6 -38.51 0 3 -1 48 361.187 3
Mid Mid (pH 6-8) 4.14 6 -7.12 1 3 0 46 362.195 3

Activity (Go SEA)

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