UCSF

ZINC06439664

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 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) 3.89 10.16 -64.42 0 6 -1 79 422.501 9
Lo Low (pH 4.5-6) 3.89 9.28 -15.12 1 6 0 76 423.509 9

Activity (Go SEA)

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