UCSF

ZINC08618328

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 20 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) 0.88 -3.35 -39.18 3 5 1 62 278.376 7
Mid Mid (pH 6-8) 0.88 -3.19 -96.04 4 5 2 63 279.384 7

Activity (Go SEA)

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