UCSF

ZINC21520783

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 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) 2.88 6.84 -47.64 4 5 1 72 307.443 7
Hi High (pH 8-9.5) 2.70 3.53 -50.19 2 5 -1 78 305.427 7
Mid Mid (pH 6-8) 2.70 5.78 -37.24 3 5 0 79 306.435 7

Activity (Go SEA)

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