UCSF

ZINC01807390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 26 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) 3.05 9.78 -17.03 0 7 0 74 349.394 4
Mid Mid (pH 6-8) 3.06 10.3 -34.06 2 7 1 79 350.402 4
Mid Mid (pH 6-8) 3.05 10.1 -44.53 1 7 1 76 350.402 4

Activity (Go SEA)

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