UCSF

ZINC70503947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 19 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) 2.30 7.03 -25.74 3 4 1 56 261.393 6
Mid Mid (pH 6-8) 2.30 7.15 -22.31 3 4 1 56 261.393 6
Mid Mid (pH 6-8) 2.30 7.54 -104.76 4 4 2 58 262.401 6
Mid Mid (pH 6-8) 2.30 7.04 -7.37 2 4 0 55 260.385 6
Lo Low (pH 4.5-6) 2.30 7.55 -104.96 4 4 2 58 262.401 6

Activity (Go SEA)

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