UCSF

ZINC35313665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 26 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) 1.56 1.95 -18.89 3 7 0 96 380.514 5
Mid Mid (pH 6-8) 1.56 4.11 -59.67 4 7 1 97 381.522 5

Activity (Go SEA)

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