UCSF

ZINC32498389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 19 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) 2.90 9.48 -112.08 3 2 2 21 264.388 5
Mid Mid (pH 6-8) 2.90 7.24 -39.15 2 2 1 20 263.38 5
Mid Mid (pH 6-8) 2.90 8.3 -33.21 2 2 1 16 263.38 5

Activity (Go SEA)

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