UCSF

ZINC61993001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) -0.66 4.8 -44 2 6 1 60 267.353 6
Mid Mid (pH 6-8) -0.66 3.87 -50.93 2 6 1 64 267.353 6
Mid Mid (pH 6-8) -0.66 6.17 -124.04 3 6 2 65 268.361 6

Activity (Go SEA)

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