UCSF

ZINC34844692

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 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) 0.84 4.65 -46.18 1 5 -1 87 275.28 4
Lo Low (pH 4.5-6) 0.26 4.63 -14.08 1 5 0 81 276.288 5

Activity (Go SEA)

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