UCSF

ZINC09234756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 No

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) 4.76 11.19 -59.91 0 6 -1 86 429.477 4
Mid Mid (pH 6-8) 5.21 11.29 -20.64 1 6 0 84 430.485 3

Activity (Go SEA)

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