UCSF

ZINC34973848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.63 7.99 -4.55 1 2 0 36 242.366 3
Mid Mid (pH 6-8) 3.63 8.56 -42.9 2 2 1 40 243.374 3

Activity (Go SEA)

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