UCSF

ZINC08743388

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 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 12.42 -77.41 1 6 0 74 491.415 9
Mid Mid (pH 6-8) 4.17 1.05 -44.81 1 6 1 68 492.423 9

Activity (Go SEA)

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