UCSF

ZINC13533985

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 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) 8.99 15.73 -9.52 2 3 0 49 493.478 5
Mid Mid (pH 6-8) 8.99 15.52 -10.24 2 3 0 49 493.478 5
Mid Mid (pH 6-8) 8.99 15.94 -30.05 3 3 1 50 494.486 5

Activity (Go SEA)

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