UCSF

ZINC59602897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 35 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) 5.95 11.18 -257.74 8 5 4 70 495.885 11
Hi High (pH 8-9.5) 5.95 8.96 -78.43 6 5 2 61 493.869 11
Mid Mid (pH 6-8) 5.95 11.91 -253.95 8 5 4 66 495.885 11
Mid Mid (pH 6-8) 5.95 13.11 -391.5 9 5 5 71 496.893 11

Activity (Go SEA)

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