UCSF

ZINC65512594

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 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) 3.20 7.76 -35.08 2 3 1 28 303.47 5
Mid Mid (pH 6-8) 3.20 7.64 -30.95 2 3 1 28 303.47 5
Lo Low (pH 4.5-6) 3.20 9.82 -109.69 3 3 2 29 304.478 5

Activity (Go SEA)

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