UCSF

ZINC37094947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.65 7.59 -36.96 3 3 1 40 265.421 9
Mid Mid (pH 6-8) 1.65 7.88 -127.26 4 3 2 41 266.429 9
Mid Mid (pH 6-8) 1.65 6.03 -42 3 3 1 40 265.421 9

Activity (Go SEA)

Rings

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