UCSF

ZINC36776328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) -0.41 4.29 -40.19 4 5 1 81 242.306 4
Mid Mid (pH 6-8) -0.41 5.35 -9.47 3 5 0 79 241.298 4
Lo Low (pH 4.5-6) -0.41 4.75 -78.95 5 5 2 82 243.314 4

Activity (Go SEA)

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