UCSF

ZINC00933566

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 28 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) 3.00 9.99 -15.51 1 7 0 93 413.528 7
Mid Mid (pH 6-8) 2.15 10.23 -19.25 1 8 0 99 369.406 7

Activity (Go SEA)

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