UCSF

ZINC45659807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.11 6.7 -78.06 3 3 2 24 267.461 3
Hi High (pH 8-9.5) 2.11 8.06 -102.03 3 3 2 21 267.461 3
Mid Mid (pH 6-8) 2.11 4.25 -36.76 2 3 1 23 266.453 3
Mid Mid (pH 6-8) 2.11 6.39 -97.42 3 3 2 24 267.461 3

Activity (Go SEA)

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