UCSF

ZINC13820304

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) 2.31 8.49 -53.5 0 4 -1 58 241.27 2
Mid Mid (pH 6-8) 2.31 8.99 -64.75 1 4 0 59 242.278 2

Activity (Go SEA)

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