UCSF

ZINC13595312

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 29 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) 4.26 10.66 -7.53 1 4 0 41 383.495 4
Mid Mid (pH 6-8) 4.26 10.96 -33.7 2 4 1 42 384.503 4

Activity (Go SEA)

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